N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide

C13H16F3NO2 — CID 3613944

IUPACN-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
SMILESCCC(COC)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-9(8-19-2)17-12(18)10-6-4-5-7-11(10)13(14,15)16/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyIOWWSTQLTWESKR-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.86
Rot. Bonds5

About N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide

N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 3613944) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID3613944
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
SMILESCCC(COC)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H16F3NO2/c1-3-9(8-19-2)17-12(18)10-6-4-5-7-11(10)13(14,15)16/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyIOWWSTQLTWESKR-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide
CID 79885627
N-(1-aminopentan-3-yl)-2-(trifluoromethyl)benzamide
CID 62651047
N-[1-[(5,6-dichloro-3-pyridinyl)oxy]butan-2-yl]-2-(trifluoromethyl)benzamide
CID 173093170
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
N-[(2R)-pentan-2-yl]-2-(trifluoromethyl)benzamide
CID 92850424
2-bromo-N-(1-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103755507
2-tert-butyl-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 113351911
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 2324672
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
N-[(2R)-2-hydroxy-3-methoxy-2-methylpropyl]-2-(trifluoromethyl)benzamide
CID 95368900

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide (CID 3613944) is N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide is CCC(COC)NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is IOWWSTQLTWESKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-9(8-19-2)17-12(18)10-6-4-5-7-11(10)13(14,15)16/h4-7,9H,3,8H2,1-2H3,(H,17,18).
What are the key properties of N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide?
N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 275.27 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 3613944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).